5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole

C57H39N5 — CID 175630031

IUPAC5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(c3cc4c5ccccc5n(-c5ccccc5-c5ccc(-c6ccccc6)cc5-c5ccccc5)c4cc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C57H39N5/c1-5-19-38(20-6-1)42-33-34-43(47(35-42)39-21-7-2-8-22-39)44-27-13-16-30-50(44)61-51-31-17-14-28-45(51)48-36-49-46-29-15-18-32-52(46)62(54(49)37-53(48)61)57-59-55(40-23-9-3-10-24-40)58-56(60-57)41-25-11-4-12-26-41/h1-14,16-28,30-37H,15,29H2
InChIKeyQAXDPIJSYBOHPA-UHFFFAOYSA-N
MW793.97 g/mol
LogP14.21
Rot. Bonds7

About 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole

5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole (PubChem CID 175630031) has the molecular formula C57H39N5 and a molecular weight of 793.97 g/mol. Its IUPAC name is 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole
PubChem CID175630031
Molecular FormulaC57H39N5
Molecular Weight793.97 g/mol
Exact Mass793.32
IUPAC Name5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(c3cc4c5ccccc5n(-c5ccccc5-c5ccc(-c6ccccc6)cc5-c5ccccc5)c4cc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C57H39N5/c1-5-19-38(20-6-1)42-33-34-43(47(35-42)39-21-7-2-8-22-39)44-27-13-16-30-50(44)61-51-31-17-14-28-45(51)48-36-49-46-29-15-18-32-52(46)62(54(49)37-53(48)61)57-59-55(40-23-9-3-10-24-40)58-56(60-57)41-25-11-4-12-26-41/h1-14,16-28,30-37H,15,29H2
InChIKeyQAXDPIJSYBOHPA-UHFFFAOYSA-N
XLogP14.21
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-phenyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 170082267
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155636664
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole (CID 175630031) is 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole is C1=Cc2c(c3cc4c5ccccc5n(-c5ccccc5-c5ccc(-c6ccccc6)cc5-c5ccccc5)c4cc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole?
The InChIKey is QAXDPIJSYBOHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5/c1-5-19-38(20-6-1)42-33-34-43(47(35-42)39-21-7-2-8-22-39)44-27-13-16-30-50(44)61-51-31-17-14-28-45(51)48-36-49-46-29-15-18-32-52(46)62(54(49)37-53(48)61)57-59-55(40-23-9-3-10-24-40)58-56(60-57)41-25-11-4-12-26-41/h1-14,16-28,30-37H,15,29H2.
What are the key properties of 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole?
5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole has a molecular weight of 793.97 g/mol, XLogP of 14.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 175630031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).